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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50423389   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50423389
PNG
(CHEMBL250832)
Show SMILES CCCCNc1nc(SCCC)nc2n(cnc12)[C@@H]1O[C@H](\C=C\C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H32N6O8S/c1-3-5-8-24-19-16-20(28-23(27-19)38-9-4-2)29(11-25-16)21-18(34)17(33)13(37-21)6-7-14(30)26-12(22(35)36)10-15(31)32/h6-7,11-13,17-18,21,33-34H,3-5,8-10H2,1-2H3,(H,26,30)(H,31,32)(H,35,36)(H,24,27,28)/b7-6+/t12-,13+,17+,18+,21+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y12 receptor assessed as ADP-induced human platelet aggregation

Bioorg Med Chem Lett 17: 6013-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.057
BindingDB Entry DOI: 10.7270/Q2JD4Z2Q
More data for this
Ligand-Target Pair